(5S)-5-ethyl-N-(3-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: (5S)-5-ethyl-N-(3-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-5-ethyl-N-(3-methylsulfanylphenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-5-ethyl-N-[3-(methylthio)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-5-ethyl-N-(3-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-5-ethyl-N-[3-(methylthio)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C18H21NOS2 MolecularWeight: 331.49544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C18H21NOS2/c1-3-12-7-8-16-13(9-12)10-17(22-16)18(20)19-14-5-4-6-15(11-14)21-2/h4-6,10-12H,3,7-9H2,1-2H3,(H,19,20)/t12-/m0/s1